cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium

Systemtic Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4R)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cycloheptyl-methyl-ammonium Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](C)C3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)C[NH+](C)C3CCCCCC3

InChI

InChI=1S/C20H29N3O4/c1-3-26-19(24)17-15(13-23(2)14-9-6-4-5-7-10-14)21-20(25)22-18(17)16-11-8-12-27-16/h8,11-12,14,18H,3-7,9-10,13H2,1-2H3,(H2,21,22,25)/p+1/t18-/m0/s1